2-Methoxy-4-mercaptobenzoic acid

Base Information

Chemical Name:2-Methoxy-4-mercaptobenzoic acid
CAS No.:95420-72-7
Molecular Formula:C8H8 O3 S
Molecular Weight:184.216
Hs Code.:2930909090
DSSTox Substance ID:DTXSID10400471
Mol file:95420-72-7.mol

Synonyms:95420-72-7;2-METHOXY-4-MERCAPTOBENZOIC ACID;2-methoxy-4-sulfanylbenzoic acid;4-mercapto-2-methoxybenzoic acid;4-Mercapto-2-methoxy-benzoic Acid;4-mercapto-2-methoxybenzoicacid;SCHEMBL23699494;DTXSID10400471;AKOS006278361;FT-0671245;A847301

Suppliers and Price of 2-Methoxy-4-mercaptobenzoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
2-Methoxy-4-mercaptobenzoicAcid
5mg
$ 85.00

Medical Isotopes, Inc.
2-Methoxy-4-mercaptobenzoicAcid
10 mg
$ 850.00

American Custom Chemicals Corporation
2-METHOXY-4-MERCAPTOBENZOIC ACID 95.00%
100MG
$ 1963.50

American Custom Chemicals Corporation
2-METHOXY-4-MERCAPTOBENZOIC ACID 95.00%
10MG
$ 750.75

American Custom Chemicals Corporation
2-METHOXY-4-MERCAPTOBENZOIC ACID 95.00%
5MG
$ 385.00

Total 5 raw suppliers

Chemical Property of 2-Methoxy-4-mercaptobenzoic acid

Chemical Property:

Melting Point:190掳C dec.
PSA：85.33000
LogP:1.68210
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:184.01941529
Heavy Atom Count:12
Complexity:172

Purity/Quality:

97% ^*data from raw suppliers

2-Methoxy-4-mercaptobenzoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=CC(=C1)S)C(=O)O
Uses 2-Methoxy-4-mercaptobenzoic Acid (cas# 95420-72-7) is a compound useful in organic synthesis.

Technology Process of 2-Methoxy-4-mercaptobenzoic acid

There total 17 articles about 2-Methoxy-4-mercaptobenzoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 78.0%

: 2486-80-8
4-amino-2-methoxybenzoic acid

: 140-89-6
potassium ethyl xanthogenate

: 95420-72-7
4-mercapto-2-methoxybenzoic acid

Guidance literature:: 4-amino-2-methoxybenzoic acid; With hydrogenchloride; sodium nitrite; In water; at 0 ℃;

potassium ethyl xanthogenate; In water; at 0 - 20 ℃; for 1h;

With sodium hydroxide; In ethanol; for 7h; Reflux;
DOI:10.1134/S1070428019080062

Reference yield: 65.0%

: 89469-32-9
4-Chlorosulphonyl-2-methoxybenzoic acid

: 95420-72-7
4-mercapto-2-methoxybenzoic acid

Guidance literature:: With sulfuric acid; zinc; In water; at -5 - 70 ℃; for 4.5h;
DOI:10.1134/S1070428019080062

Reference yield:

: 2150-47-2
methyl 2,4-dihydroxybenzoate

: 95420-72-7
4-mercapto-2-methoxybenzoic acid

Guidance literature:: Multi-step reaction with 6 steps

1: 79 percent / KI, K₂CO₃ / tetrabutylammonium chloride / acetone / 4 h / Heating

2: 1.) NaH / 1.) DMF, 2.) DMF, RT, 2.5 h

3: 39.73 g / H₂ / 5percent Pd/C / tetrahydrofuran / 1810.02 Torr

4: 1.) NaH / 1.) DMF, 2.) DMF, RT, overnight

5: 1 h / 235 - 245 °C

6: 5 N aq. NaOH / methanol / Heating

With sodium hydroxide; hydrogen; sodium hydride; potassium carbonate; potassium iodide; palladium on activated charcoal; tetrabutyl-ammonium chloride; In tetrahydrofuran; methanol; acetone;
DOI:10.1021/jm00383a006